| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:31 UTC |
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| Update Date | 2025-03-21 18:01:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00032550 |
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| Frequency | 112.1 |
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| Structure | |
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| Chemical Formula | C15H24N2O3S |
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| Molecular Mass | 312.1508 |
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| SMILES | CCCC=CC=CC(=O)SCCNC(=O)CCNC(C)=O |
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| InChI Key | SPQZZOSBALOULW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | beta amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidescarbonyl compoundscarbothioic s-esterscarboxylic acids and derivativesfatty acyl thioestershydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthioestersthiolactones |
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| Substituents | aliphatic acyclic compoundcarbonyl groupthiocarboxylic acid or derivativessulfenyl compoundthiocarboxylic acid esterorganosulfur compoundcarboxamide groupbeta amino acid or derivativescarbothioic s-estersecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundfatty acyl thioesterthiolactoneacetamideorganooxygen compound |
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